MCULE-6085161431
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 14 USD | 95 | 14 working days | Get Quote |
5 mg | 14 USD | 95 | 14 working days | Get Quote |
10 mg | 14 USD | 95 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-6085161431.sdf |
SMILES | MCULE-6085161431.smiles |
Standard InChI | MCULE-6085161431.inchi |
InChIKey | MCULE-6085161431.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869192528 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-588246737 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606863543 | AmBeed | In stock | N/A | As is | in stock |
P-494327565 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864188019 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-901461223 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-448686279 | ChemDiv | Discovery Chemistry Library | 90 | As is | 93 mg |
P-861283857 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-580303213 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889109816 | FluoroChem | In Stock BB | N/A | As is | 10 g |
P-505526992 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-502527568 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-889736828 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-31250597 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-613282045 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-580464041 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852377280 | Matrix Scientific | All | N/A | As is | in stock |
P-428112416 | Maybridge | Screening Collection | 95 | As is | 22.266 kg |
P-855402006 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-454372046 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-500408099 | Pi Chemicals | Virtual Compounds | N/A | As is | by synthesis |
P-500391994 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-885528546 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596780539 | Synthonix | In-stock Building Blocks | 97 | As is | 1.27 kg |
P-611485848 | Toronto Research | In stock | 90 | As is | in stock |
P-590420951 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 140.205 |
logP | 1.9839 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 48.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 40.186 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 8 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |